Cs0.97Cu[Fe(CN)6]0.99·1.1H2O (Cs0.97CuFe0.99[CN]5.94[H2O]1.1, T = 300 K) Crystal Structure
General Information
- Phase Label(s): Cs0.97CuFe0.99[CN]5.94[H2O]1.1
- Structure Class(es): Nasicon family, Prussian blue
- Classification by Properties: –
- Mineral Name(s): –
- Pearson Symbol: tI40
- Space Group: 119
- Phase Prototype: Cs0.97CuFe0.99[CN]5.94[H2O]1.1
- Measurement Detail(s): automatic diffractometer; Japan, Hyogo, Japan Synchrotron Radiation Research Institute, SPring-8, BL02B2 (determination of structural parameters), X-rays, synchrotron; λ = 0.050208 nm (determination of structural parameters), T = 300 K (determination of structural parameters)
- Phase Class(es): –
- Compound Class(es): cyanide, hydrate
- Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, wRP = 0.0674; RB = 0.0295
- Sample Detail(s): sample prepared from CsCl, CuCl2[H2O]2, K3(Fe[CN]6), chemical analysis, inductive coupled plasma method; 30.5 wt.% Cs, 15.1 wt.% Cu, 13.1 wt.% Fe, 16.9 at.% C, 0.5 wt.% H, 19.7 wt.% N, powder (determination of structural parameters)
Substance Summary
- Standard Formula: Cs0.97CuFe0.99[CN]5.94[H2O]1.1
- Alphabetic Formula: [CN]5.94Cs0.97CuFe0.99[H2O]1.1
- Published Formula: Cs0.97Cu[Fe(CN)6]0.99·1.1H2O
- Refined Formula: C5.94Cs0.97CuFe0.99H1.16N5.94O0.58
- Wyckoff Sequence: 119,g2f2e2dcba
- Z Formula Units: 2
- Density: ρ = 2.49 Mg·m−3
Crystallographic Data
Cell Parameters
Atom Coordinates
Standardized
Published
Displacement Parameters
Isotropic
Experimental Details
Reference
3D Interactive Structure
About this content
PAULING FILE Multinaries Edition – 2012
sd_1021564
©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016
Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland
SpringerMaterials Release 2016.
Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS
All Rights Reserved. Version 2016.10.
Project Coordinator: Shuichi Iwata
Section-Editor: Karin Cenzual (Crystal Structures)
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